0 mol 26 unq 0 iso 0 dist 7.24149 5.60332 7.22361 8.63881 11.3644 6.15893 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.63881 5.60332 6.15893 7.24149 11.3644 7.22361 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.33901 5.3241 6.15893 10.7673 11.3644 7.22361 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.53262 8.43904 9.33027 10.0291 4.79 8.2946 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.53262 4.81608 7.32707 10.0291 4.79 9.25346 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 9.83017 9.82078 6.47855 13.7236 4.85203 6.24515 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 5.1736 6.8989 6.47855 9.22231 4.85203 6.24515 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.9648 4.92118 9.11258 11.8194 13.9773 7.6481 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.17967 9.40625 9.63599 10.2454 9.20479 8.01743 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 9.53368 4.99645 7.2268 6.54532 8.12939 8.31175 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 6.54532 4.99645 8.31175 9.53368 8.12939 7.2268 numMergedOcc 0
11 mol 87 unq 2 iso 0 dist 9.64421 10.6701 7.2268 14.5217 8.12939 8.31175 numMergedOcc 0
12 mol 87 unq 3 iso 0 dist 6.72471 7.79329 7.2268 13.3426 8.12939 8.31175 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 9.9778 9.72019 6.13559 11.6254 5.74742 9.83981 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 9.9778 9.72019 6.13559 6.27701 7.50948 6.51395 numMergedOcc 0
15 mol 114 unq 2 iso 0 dist 6.27701 9.72019 6.51395 11.6254 12.0339 9.83981 numMergedOcc 0
16 mol 114 unq 3 iso 0 dist 6.27701 9.72019 6.51395 9.9778 7.50948 6.13559 numMergedOcc 0
17 mol 114 unq 4 iso 0 dist 6.06039 11.1547 9.83981 9.36502 5.74742 6.13559 numMergedOcc 0
18 mol 114 unq 5 iso 0 dist 6.06039 11.1547 9.83981 15.8301 12.0339 6.51395 numMergedOcc 0
19 mol 114 unq 6 iso 0 dist 9.36502 11.1547 6.13559 6.06039 5.74742 9.83981 numMergedOcc 0
20 mol 114 unq 7 iso 0 dist 9.36502 11.1547 6.13559 15.8301 7.50948 6.51395 numMergedOcc 0
21 mol 116 unq 0 iso 0 dist 9.49798 6.2875 7.35992 8.31955 6.36898 6.49383 numMergedOcc 0
22 mol 116 unq 1 iso 0 dist 8.31955 6.2875 6.49383 9.49798 6.36898 7.35992 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.27859 4.1584 4.25566 6.28535 7.41037 6.63171 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 6.27859 4.1584 4.25566 10.1966 6.97263 7.67273 numMergedOcc 0
25 mol 141 unq 2 iso 0 dist 6.28535 4.1584 6.63171 6.27859 7.41037 4.25566 numMergedOcc 0
26 mol 141 unq 3 iso 0 dist 6.28535 4.1584 6.63171 10.1966 6.23867 7.67273 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 7.39743 9.06982 8.9289 11.2112 6.46849 5.97685 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 9.84931 5.7899 8.08764 5.58605 7.98994 9.01462 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 5.58605 5.7899 9.01462 9.84931 7.98994 8.08764 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 9.45903 8.13148 5.97993 8.51531 4.81479 6.44252 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 8.51531 8.13148 6.44252 9.45903 4.81479 5.97993 numMergedOcc 0
